5-Fluoro-2-nitrotoluene (HCID 94956)

Names & identifiers

Preferred name: 5-Fluoro-2-nitrotoluene
IUPAC: 4-fluoro-2-methyl-1-nitrobenzene
English name: 5-Fluoro-2-nitrotoluene
Molecular formula: C7H6FNO2
Molecular weight: 155.13

Names & synonyms

5-Fluoro-2-nitrotoluene446-33-34-Fluoro-2-methyl-1-nitrobenzeneBenzene, 4-fluoro-2-methyl-1-nitro-EINECS 207-164-4NSC 10334AI3-52230JHFOWEGCZWLHNW-UHFFFAOYSA-DTXSID80196238RefChem:535850DTXCID90118729207-164-4

Show more names

uoro-2-nitrotouoro-2-nitrotoLFluoro-2-nitrotoluFluoronitrotoluene55-Fluoro-2-nitrotolu5-Fluoro-2-nitrotoulene

InChI=1/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H33-Fluoro-6-nitrotoluene2-nitro-5-fluoro toluene4-Fluoro-2-methylnitrobenzene2-nitro-5-fluorotolueneToluene, 5-fluoro-2-nitro-4-fluoro-2-methyl-1-nitro-benzene2-Methyl-4-fluoronitrobenzene

Database identifiers

CAS: 446-33-3
PubChem CID: 94956
DTXSID: DTXSID80196238
UNII: DL37KMH6YZ
EC Number: 207-164-4
Nikkaji: J52C

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 28 °C · 28°C
Boiling point: 97 · 97-98 °C/10 mmHg (lit.)
Density: 1.272 g/mL · 1.272 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.527(lit.)
Flash point: 190 °F · 190 °F
storage temp.: Sealed in dry,Room Temperature
form: powder to lump to clear liquid
color: White or Colorless to Yellow
Specific Gravity: 1.272 · 1.272
BRN: 2046652 · 2046652
InChI: InChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChIKey: JHFOWEGCZWLHNW-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(F)C=C1C
CAS DataBase Reference: 446 · 446-33-3(CAS DataBase Reference)
FDA UNII: 37 KMH6YZ · DL37KMH6YZ
NIST Chemistry Reference: 4 · Benzene, 4-fluoro-2-methyl-1-nitro-(446-33-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H227-H302-H312-H331-H315-H319-H335
Precautionary statements: 305 · P305+P351+P338-P210e-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36-45-37-28A
RIDADR: 2811 · UN 2811
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29049085 · 29049085
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (94%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2811
hs_code: 29049085
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36-45-37-28A
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H227-H302-H312-H331-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P305+P351+P338-P210e-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501

Chemistry & industry

Applications

Uses5-Fluoro-2-nitrotoluene can be used to synthesize 5-fluoro-2-nitrobenzaldehyde. The resulting substance can be used as an intermediate in pharmaceutical chemistry and organic synthesis to prepare herbicides, plant growth regulators, etc.